SCHEMBL4848518

SCHEMBL4848518

CCN(C(N)=O)[C@@H]1CN2C(=O)N(c3cc(Cl)nc(Cl)c3)C(=O)[C@@]2(Cc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.34
PPARD Q03181 4/20 0.33
PPARA Q07869 4/20 0.33
LIPE Q05469 2/20 0.33
KCNN3 Q9UGI6 1/20 0.33
PPARG P37231 2/20 0.33
GCGR P47871 3/20 0.32
CYP2C9 P11712 2/20 0.32
CXCR3 P49682 1/20 0.32
AMPD2 Q01433 1/20 0.32
IDH1 O75874 2/20 0.32
ENPP2 Q13822 1/20 0.32
MAPT P10636 1/20 0.32
METAP2 P50579 1/20 0.32
CYP3A4 P08684 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6478244 0.85 KCNN3 (0.34) PPARDPPARALIPEKCNN3PPARG
SCHEMBL4847817 0.83 KCNN3 (0.38) PPARDPPARALIPEKCNN3PPARG
SCHEMBL14254710 0.83 KCNN3 (0.36) LIPEKCNN3GCGRMAPTMETAP2
SCHEMBL4848707 0.83 KCNN3 (0.36) LIPEKCNN3GCGRMAPTMETAP2
SCHEMBL4845117 0.83 KCNN3 (0.36) LIPEKCNN3GCGRMAPTMETAP2
SCHEMBL14254709 0.83 GRM2 (0.37) LIPEKCNN3IDH1CYP3A4
SCHEMBL6485047 0.83 MCHR1 (0.35) PPARDPPARALIPEKCNN3PPARG
SCHEMBL6477360 0.83 GCGR (0.35) LIPEKCNN3GCGRIDH1METAP2
SCHEMBL14254846 0.82 GCGR (0.35) LIPEKCNN3GCGRCYP2C9IDH1
SCHEMBL4849155 0.81 SMPD3 (0.38) PPARDPPARALIPEKCNN3GCGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2005-07-07 US disclosed
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion ITGB2, ITGA2B, ITGB1 CCR5 438/4885PPARD 4167/4885PPARA 3320/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.